N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

C28H24N6O — CID 121168265

IUPACN-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESCc1cccn2cc(-c3cccc(NC(=O)C4CN(c5cc(-c6ccccc6)ncn5)C4)c3)nc12
InChIInChI=1S/C28H24N6O/c1-19-7-6-12-33-17-25(32-27(19)33)21-10-5-11-23(13-21)31-28(35)22-15-34(16-22)26-14-24(29-18-30-26)20-8-3-2-4-9-20/h2-14,17-18,22H,15-16H2,1H3,(H,31,35)
InChIKeyWWVWXORNPOYWLK-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.84
Rot. Bonds5

About N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 121168265) has the molecular formula C28H24N6O and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID121168265
Molecular FormulaC28H24N6O
Molecular Weight460.54 g/mol
Exact Mass460.20
IUPAC NameN-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESCc1cccn2cc(-c3cccc(NC(=O)C4CN(c5cc(-c6ccccc6)ncn5)C4)c3)nc12
InChIInChI=1S/C28H24N6O/c1-19-7-6-12-33-17-25(32-27(19)33)21-10-5-11-23(13-21)31-28(35)22-15-34(16-22)26-14-24(29-18-30-26)20-8-3-2-4-9-20/h2-14,17-18,22H,15-16H2,1H3,(H,31,35)
InChIKeyWWVWXORNPOYWLK-UHFFFAOYSA-N
XLogP4.84
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopropanecarboxamide
CID 122284189
2-[[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 5298505
N-(3-methylsulfanylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168195
N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168086
(E)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide
CID 121055726
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90519073
N-(2-methylsulfanylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121018177
N-(4-phenoxyphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168173
N-(4-bromo-2-methylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168151
N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168252
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 122284247
2-(1,3-dioxoisoindol-2-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 122284265

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (CID 121168265) is N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is Cc1cccn2cc(-c3cccc(NC(=O)C4CN(c5cc(-c6ccccc6)ncn5)C4)c3)nc12.
What is the InChIKey of N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is WWVWXORNPOYWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O/c1-19-7-6-12-33-17-25(32-27(19)33)21-10-5-11-23(13-21)31-28(35)22-15-34(16-22)26-14-24(29-18-30-26)20-8-3-2-4-9-20/h2-14,17-18,22H,15-16H2,1H3,(H,31,35).
What are the key properties of N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121168265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).